# generated using pymatgen
data_CeNi2B3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21787415
_cell_length_b   7.21787415
_cell_length_c   7.21787415
_cell_angle_alpha   116.12476048
_cell_angle_beta   116.12476048
_cell_angle_gamma   96.85433530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNi2B3
_chemical_formula_sum   'Ce4 Ni8 B12'
_cell_volume   279.30574359
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ce  Ce0  1  0.74154000  0.24154000  0.50000000  1.0
  Ce  Ce1  1  0.24154000  0.74154000  0.50000000  1.0
  Ce  Ce2  1  0.18372600  0.18372600  0.00000000  1.0
  Ce  Ce3  1  0.80225500  0.80225500  0.00000000  1.0
  Ni  Ni4  1  0.51921900  0.74580400  0.22658600  1.0
  Ni  Ni5  1  0.51921900  0.29263300  0.77341400  1.0
  Ni  Ni6  1  0.29263300  0.51921900  0.77341400  1.0
  Ni  Ni7  1  0.74580400  0.51921900  0.22658600  1.0
  Ni  Ni8  1  0.10874700  0.10874700  0.54547200  1.0
  Ni  Ni9  1  0.56327500  0.56327500  0.45452800  1.0
  Ni  Ni10  1  0.56327500  0.10874700  0.00000000  1.0
  Ni  Ni11  1  0.10874700  0.56327500  0.00000000  1.0
  B  B12  1  0.89885100  0.73522800  0.61752600  1.0
  B  B13  1  0.11770200  0.28132500  0.38247400  1.0
  B  B14  1  0.11770200  0.73522800  0.83637700  1.0
  B  B15  1  0.89885100  0.28132500  0.16362300  1.0
  B  B16  1  0.28132500  0.89885100  0.16362300  1.0
  B  B17  1  0.73522800  0.11770200  0.83637700  1.0
  B  B18  1  0.73522800  0.89885100  0.61752600  1.0
  B  B19  1  0.28132500  0.11770200  0.38247400  1.0
  B  B20  1  0.86426900  0.86426900  0.45663300  1.0
  B  B21  1  0.40763500  0.40763500  0.54336700  1.0
  B  B22  1  0.40763500  0.86426900  0.00000000  1.0
  B  B23  1  0.86426900  0.40763500  0.00000000  1.0